3-(3,3,3-trifluoropropoxy)-1H-pyrazin-2-one

C7H7F3N2O2 — CID 103241925

IUPAC3-(3,3,3-trifluoropropoxy)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1OCCC(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)1-4-14-6-5(13)11-2-3-12-6/h2-3H,1,4H2,(H,11,13)
InChIKeyDPFCKKHNGBSWPK-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.10
Rot. Bonds3

About 3-(3,3,3-trifluoropropoxy)-1H-pyrazin-2-one

3-(3,3,3-trifluoropropoxy)-1H-pyrazin-2-one (PubChem CID 103241925) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropoxy)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropoxy)-1H-pyrazin-2-one
PubChem CID103241925
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name3-(3,3,3-trifluoropropoxy)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1OCCC(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)1-4-14-6-5(13)11-2-3-12-6/h2-3H,1,4H2,(H,11,13)
InChIKeyDPFCKKHNGBSWPK-UHFFFAOYSA-N
XLogP1.10
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropoxy)-1H-pyrazin-2-one?
The IUPAC name of 3-(3,3,3-trifluoropropoxy)-1H-pyrazin-2-one (CID 103241925) is 3-(3,3,3-trifluoropropoxy)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(3,3,3-trifluoropropoxy)-1H-pyrazin-2-one?
The canonical SMILES for 3-(3,3,3-trifluoropropoxy)-1H-pyrazin-2-one is O=c1[nH]ccnc1OCCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropoxy)-1H-pyrazin-2-one?
The InChIKey is DPFCKKHNGBSWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)1-4-14-6-5(13)11-2-3-12-6/h2-3H,1,4H2,(H,11,13).
What are the key properties of 3-(3,3,3-trifluoropropoxy)-1H-pyrazin-2-one?
3-(3,3,3-trifluoropropoxy)-1H-pyrazin-2-one has a molecular weight of 208.14 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropoxy)-1H-pyrazin-2-one is sourced from PubChem (CID 103241925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).